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CAS 103335-41-7 3-Oxo-4-aza-5α-αndrost-1-ene-17β-carboxylic Acid Methyl Ester molecular structure lightbox
CAS RN: 103335-41-7

3-Oxo-4-aza-5α-αndrost-1-ene-17β-carboxylic Acid Methyl Ester

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 1g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250228 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250409 5g In stock Shanghai Inquiry
  • Product code: SSC-004813
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 103335-41-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

103335-41-7 / methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate

Dutasteride methyl ester | DDK98J5FUO | 1H-Indeno(5,4-f)quinoline-7-carboxylic acid, 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, methyl ester, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-

Standard CAS: 103335-41-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103335-41-7
Multi CAS
Yes
Molecular Formula
C20H29NO3
Molecular Weight
331.400000
Exact Mass
331.214744
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C20H29NO3/c1-19-10-8-14-12(13(19)5-6-15(19)18(23)24-3)4-7-16-20(14,2)11-9-17(22)21-16/h9,11-16H,4-8,10H2,1-3H3,(H,21,22)/t12-,13-,14-,15+,16+,19-,20+/m0/s1
InChIKey
WMSQGMYJYBSBKA-ALHYADCGSA-N
Synonyms
Dutasteride methyl ester DDK98J5FUO 1H-Indeno(5,4-f)quinoline-7-carboxylic acid, 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, methyl ester, (4aR,4bS,6aS,7S,9aS,9bS,11aR)- 17beta-(Methoxycarbonyl)-4-aza-5alpha-androst-1-en-3-one Methyl (5alpha,17beta)-3-oxo-4-azaandrost-1-ene-17-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
90.96
TPSA
55.4

LogP / Solubility

WLOGP
3.07
MLOGP
2.72
XLogP3
2.6
Consensus LogP
2.8
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H361 (94.7%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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